SCHEMBL8556300

SCHEMBL8556300

C=C(C)C(=O)NCC/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ TRPV1 Q8NER1 5/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ PPARG P37231 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8550978 0.86 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2AAKR1C3
SCHEMBL8547353 0.85 PLAAT3 (0.43) EPHX2ABCG2NPC1ALDH1A1RAB9A
SCHEMBL8548995 0.84 ALOX5 (0.42) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8550399 0.83 ALDH1A1 (0.41) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8548352 0.82 SMN1; SMN2 (0.42) EPHX2ABCG2NPC1ALDH1A1RAB9A
SCHEMBL8551274 0.82 PLAAT3 (0.41) POLBABCG2NPC1ALDH1A1RAB9A
SCHEMBL8552707 0.81 ALDH1A1 (0.52) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8551925 0.81 GRIK1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2HDAC3
SCHEMBL8152711 0.81 POLB (0.40) EPHX2POLBNPC1ALDH1A1RAB9A
SCHEMBL8156192 0.79 POLB (0.44) POLBSMN1; SMN2KMT2AGRIK1GRIK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
Send feedback